2-(chloromethyl)-1-(cyclopentylmethyl)piperidine

C12H22ClN — CID 63386513

IUPAC2-(chloromethyl)-1-(cyclopentylmethyl)piperidine
SMILESClCC1CCCCN1CC1CCCC1
InChIInChI=1S/C12H22ClN/c13-9-12-7-3-4-8-14(12)10-11-5-1-2-6-11/h11-12H,1-10H2
InChIKeyLHYQHRHNMAJYQQ-UHFFFAOYSA-N
MW215.77 g/mol
LogP3.27
Rot. Bonds3

About 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine

2-(chloromethyl)-1-(cyclopentylmethyl)piperidine (PubChem CID 63386513) has the molecular formula C12H22ClN and a molecular weight of 215.77 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine.

Molecular Properties

Compound Name2-(chloromethyl)-1-(cyclopentylmethyl)piperidine
PubChem CID63386513
Molecular FormulaC12H22ClN
Molecular Weight215.77 g/mol
Exact Mass215.14
IUPAC Name2-(chloromethyl)-1-(cyclopentylmethyl)piperidine
SMILESClCC1CCCCN1CC1CCCC1
InChIInChI=1S/C12H22ClN/c13-9-12-7-3-4-8-14(12)10-11-5-1-2-6-11/h11-12H,1-10H2
InChIKeyLHYQHRHNMAJYQQ-UHFFFAOYSA-N
XLogP3.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.77
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(bromomethyl)-1-(cyclopropylmethyl)azepane
CID 116638384
1-(cyclopentylmethyl)-2-ethylpyrrolidine
CID 130627690
[1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62016718
[(2R)-1-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 62736578
2-(2-chloroethyl)-1-(cyclopropylmethyl)pyrrolidine;hydrochloride
CID 23318285
2-(chloromethyl)-1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine
CID 127009301
1-[1-(cyclobutylmethyl)piperidin-2-yl]propan-2-ol
CID 114338188
1-[1-(cyclobutylmethyl)azepan-2-yl]propan-2-ol
CID 114338898
1-[1-(cyclopropylmethyl)piperidin-2-yl]-N-methylmethanamine
CID 62541663
2-(chloromethyl)-1-(3-chloro-2-methylprop-2-enyl)piperidine
CID 106439942
N-[[1-(cyclopropylmethyl)piperidin-2-yl]methyl]cyclopropanamine
CID 62580411
2-(chloromethyl)-1-(2-methoxyethyl)piperidine
CID 63386615

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine?
The IUPAC name of 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine (CID 63386513) is 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine.
What is the SMILES notation for 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine?
The canonical SMILES for 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine is ClCC1CCCCN1CC1CCCC1.
What is the InChIKey of 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine?
The InChIKey is LHYQHRHNMAJYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22ClN/c13-9-12-7-3-4-8-14(12)10-11-5-1-2-6-11/h11-12H,1-10H2.
What are the key properties of 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine?
2-(chloromethyl)-1-(cyclopentylmethyl)piperidine has a molecular weight of 215.77 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(cyclopentylmethyl)piperidine is sourced from PubChem (CID 63386513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).